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898761-49-4 | 3-(4-Bromophenyl)-2',5'-dimethylpropiophenone
CAS No: 898761-49-4 Catalog No: AG01EYV4 MDL No:
Product Description
Catalog Number:
AG01EYV4
Chemical Name:
3-(4-Bromophenyl)-2',5'-dimethylpropiophenone
CAS Number:
898761-49-4
Molecular Formula:
C17H17BrO
Molecular Weight:
317.2203
IUPAC Name:
3-(4-bromophenyl)-1-(2,5-dimethylphenyl)propan-1-one
InChI:
InChI=1S/C17H17BrO/c1-12-3-4-13(2)16(11-12)17(19)10-7-14-5-8-15(18)9-6-14/h3-6,8-9,11H,7,10H2,1-2H3
InChI Key:
HVJCPTBAPNFBIP-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)CCC(=O)c1cc(C)ccc1C
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.046g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.226g/mol
Monoisotopic Mass:
316.046g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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